CID 3905526

2-chloro-n-(2,5-dichlorophenyl)propanamide

Structural Information

Molecular Formula
C9H8Cl3NO
SMILES
CC(C(=O)NC1=C(C=CC(=C1)Cl)Cl)Cl
InChI
InChI=1S/C9H8Cl3NO/c1-5(10)9(14)13-8-4-6(11)2-3-7(8)12/h2-5H,1H3,(H,13,14)
InChIKey
COULVMXYHFANBM-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,5-dichlorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.96715 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.97443 149.6
[M+Na]+ 273.95637 163.3
[M+NH4]+ 269.00097 158.3
[M+K]+ 289.93031 155.9
[M-H]- 249.95987 151.6
[M+Na-2H]- 271.94182 156.0
[M]+ 250.96660 153.0
[M]- 250.96770 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.